Molecule

ID:128054

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₆F₃N
Molecular Mass
231.2573496
Exact Mass
231.12348418
Charge
0
InChI
InChI=1S/C12H16F3N/c1-3-16-9(2)7-10-5-4-6-11(8-10)12(13,14)15/h4-6,8-9,16H,3,7H2,1-2H3/t9-/m1/s1
InChIKey
DBGIVFWFUFKIQN-SECBINFHSA-N
Canonic Smiles
CCN[C@@H](Cc1cccc(c1)C(F)(F)F)C
Isomeric Smiles
FC(F)(F)c1cccc(c1)C[C@H](NCC)C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.24381867
LogD (pH = 7.4)
0.7935381
Log P
3.4714873
Molar Refractivity
59.2021
Polarizability
21.97514
Polar Surface Area
12.03
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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